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116397-84-3 | Phenol, 2,5-dichloro[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]- (9CI)
CAS No: 116397-84-3 Catalog No: AG000CEJ MDL No:
Product Description
Catalog Number:
AG000CEJ
Chemical Name:
Phenol, 2,5-dichloro[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]- (9CI)
CAS Number:
116397-84-3
Molecular Formula:
C13H19Cl2NO3
Molecular Weight:
308.2009
IUPAC Name:
3-[3-(tert-butylamino)-2-hydroxypropoxy]-2,5-dichlorophenol
InChI:
InChI=1S/C13H19Cl2NO3/c1-13(2,3)16-6-9(17)7-19-11-5-8(14)4-10(18)12(11)15/h4-5,9,16-18H,6-7H2,1-3H3
InChI Key:
PQHYUPYLKJCCNG-UHFFFAOYSA-N
SMILES:
OC(COc1cc(Cl)cc(c1Cl)O)CNC(C)(C)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
308.199g/mol
Monoisotopic Mass:
307.074g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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